Geometry & MOs

Info

ID:	284480
PubChem CID:	104049721
Reduced:	ClO5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	267.038771
ΔH_f, kcal/mol:	-184.26
Dipole, Da:	3.78
IP(EA), eV:	-9.34(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)C(=O)COC1=C(C=C(C=C1)C=O)Cl

DOS

IR

Vibrations